SA68-0470 Screening compound: 1-{2-[(1-acetylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

SA68-0470 Screening compound: 1-{2-[(1-acetylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
SA68-0470 Screening compound: 1-{2-[(1-acetylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound SA68-0470
1-{2-[(1-acetylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

SA68-0470

Molecular Formula

C23H34N4O5 (C23 H34 N4 O5)

Compound Name

1-{2-[(1-acetylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

IUPAC name

1-{2-[(1-acetylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-3-(23-dihydro-14-benzodioxin-6-yl)urea

SMILES

CC(N(CC1)CCC1N(CCNC(Nc(cc1)cc2c1OCCO2)=O)C1CCOCC1)=O

InChI

InChI=1S/C23H34N4O5/c1-17(28)26-9-4-19(5-10-26)27(20-6-12-30-13-7-20)11-8-24-23(29)25-18-2-3-21-22(16-18)32-15-14-31-21/h2-3,16,19-20H,4-15H2,1H3,(H2,24,25,29)

InChI Key

GCMMNTMQUACYFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32239622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.181

Distribution Coefficient, logD

-2.864

Water Solubility, LogSw

-2.02

Polar Surface Area

76.704

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

11.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.22

References: we are preparing a list of scientific research reports with SA68-0470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA68-0470?
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What is the minimum amount of SA68-0470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA68-0470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA68-0470
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of SA68-0470 available by request